An extensive computational study of the meal electron affinity was performed using the ลฝ . ab initio and density functional theory DFT methods. HF, MP2, MP3, MP4, QCISD, and ลฝ . QCISD T was used as computational methods, while the hybrid, local, and nonlocal DFT methods with the LYP, P86, PW91, and
โฆ LIBER โฆ
Computing electron affinities of radicals with density functional theory methods
โ Scribed by Branko S. Jursic
- Book ID
- 114142188
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 433 KB
- Volume
- 394
- Category
- Article
- ISSN
- 0166-1280
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